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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	SCHEMBL17043222
Molecular formula	C24H26N4O2
IUPAC name	3-methyl-2-[(3R,6R)-6-methyl-1-(2-pyridin-2-ylcyclopentene-1-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight	402.498
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.2
Synonyms	3-methyl-2-({(3r,6r)-6- methyl-1-[(2-pyridin-2- ylcyclopent-1-en-1- yl)carbonyl]piperidin-3- yl}oxy)pyridine-4-carbonitrile US9546152, example 63 BDBM205159
Inchi Key	ABJRCTKEAAWJIC-VQIMIIECSA-N
Inchi ID	InChI=1S/C24H26N4O2/c1-16-9-10-19(30-23-17(2)18(14-25)11-13-27-23)15-28(16)24(29)21-7-5-6-20(21)22-8-3-4-12-26-22/h3-4,8,11-13,16,19H,5-7,9-10,15H2,1-2H3/t16-,19-/m1/s1
PubChem CID	74221627
ChEMBL	N/A
IUPHAR	N/A
BindingDB	205159
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
557331	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
557330	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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